1,1',3,3,3',3'-HEXAMETHYLINDOTRICARBOCYANINE IODIDE
Product Name 1,1',3,3,3',3'-HEXAMETHYLINDOTRICARBOCYANINE IODIDE
CAS19764-96-6
MFC29H33IN2
MW536.49
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MassMS-NW-7761 1,1',3,3,3',3'-hexamethylindotricarbocyanine iodide C29H33IN2 (Mass of molecular ion: 536)
Source Temperature: 220 °C Sample Temperature: 200 °C Direct, 75 eV
15.0 3.4 27.0 2.9 28.0 1.2 39.0 6.3 41.0 2.4 42.0 2.2 50.0 3.2 51.0 6.9 52.0 2.2 53.0 1.2 62.0 2.4 63.0 5.6 64.0 1.9 65.0 3.2 74.0 2.7 75.0 3.4 76.0 4.0 77.0 8.8 78.0 2.4 78.5 1.0 79.0 1.8 86.0 1.1 87.0 1.4 88.0 1.9 89.0 5.5 90.0 2.0 91.0 4.6 101.0 2.5 102.0 5.5 102.5 1.8 103.0 3.6 113.0 1.1 114.0 1.0 115.0 10.9 116.0 4.9 117.0 3.4 118.0 1.7 126.0 1.1 127.0 9.5 128.0 7.0 129.0 3.4 130.0 4.9 131.0 2.3 132.0 1.2 139.0 1.4 140.0 2.0 141.0 2.3 142.0 16.8 143.0 12.4 144.0 5.2 145.0 1.6 150.0 1.0 151.0 2.8 152.0 4.0 153.0 1.6 154.0 1.9 156.0 5.5 157.0 8.5 158.0 100.0 159.0 16.3 160.0 3.9 163.0 1.2 164.0 1.4 165.0 2.7 166.0 1.2 167.0 1.1 170.0 1.2 171.0 1.4 172.0 13.3 173.0 45.6 174.0 6.2 175.0 1.1 176.0 2.3 177.0 2.4 178.0 8.1 179.0 6.0 180.0 9.7 181.0 1.8 186.0 1.3 187.0 4.7 189.0 1.1 190.0 2.9 191.0 3.3 192.0 2.0 193.0 1.5 194.0 1.1 202.0 1.1 203.0 1.7 204.0 7.5 205.0 3.8 206.0 59.6 207.0 10.9 208.0 1.4 218.0 1.5 220.0 8.0 221.0 25.2 222.0 6.8 223.0 1.0 234.0 1.6 235.0 2.2 236.0 1.3 237.0 1.7 248.0 1.6 249.0 1.2 262.0 1.2 393.0 2.1 394.0 1.4 408.0 5.3 409.0 1.7 410.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C29 H33 I N2 0.028 g : 0.5 ml CDCl3 1,1',3,3,3',3'-hexamethylindotricarbocyanine iodide 
Assign. Shift(ppm)
A 7.85 B 7.73 C 7.36 D 7.34 E 7.204 F 7.129 G 6.63 J 6.24 K 3.660 L 1.691
Hz ppm Int.3138.67 7.854 22 2952.39 7.388 66 2951.29 7.385 74 2944.46 7.368 134 2943.60 7.366 153 2937.01 7.349 206 2935.91 7.347 220 2929.44 7.331 173 2885.50 7.221 103 2878.54 7.203 153 2878.05 7.202 154 2871.09 7.185 65 2870.61 7.183 65 2853.03 7.139 118 2845.09 7.119 102 2651.37 6.635 29 2499.02 6.254 30 2486.08 6.221 29 1463.01 3.661 427 675.78 1.691 1000
KBr disc
nujol mull
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